N-[[[4-[(3-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[[4-[(3-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[[[4-[[(3-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[[4-(m-toluoylamino)benzoyl]amino]thiocarbamoyl]-2-nitro-benzamide Formula: C23H19N5O5S MolecularWeight: 477.49246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H19N5O5S/c1-14-5-4-6-16(13-14)20(29)24-17-11-9-15(10-12-17)21(30)26-27-23(34)25-22(31)18-7-2-3-8-19(18)28(32)33/h2-13H,1H3,(H,24,29)(H,26,30)(H2,25,27,31,34)